
 CHEMBL128398

 74 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL128398

>  <PubChem CID>
11756081

>  <Formula>
C28H38N4O3S

>  <Molecular Weight>
510.697000

>  <IUPAC Name>
N-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-2-imidazol-1-ylacetamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)NC(=O)CN3C=CN=C3)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)NC(=O)CN3C=CN=C3)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <InChI Std. ID>
InChI=1S/C28H38N4O3S/c1-26(2)22-8-10-28(26,24(17-22)30-25(33)18-31-16-13-29-20-31)19-36(34,35)32-14-11-27(12-15-32)9-7-21-5-3-4-6-23(21)27/h3-6,13,16,20,22,24H,7-12,14-15,17-19H2,1-2H3,(H,30,33)/t22-,24+,28-/m1/s1

>  <InChI Key>
CCXMZTSJGNBYIC-ZXDNMGRFSA-N

